(E)-3-(4-acetamidophenyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide

C20H20N4O2 — CID 75534685

IUPAC(E)-3-(4-acetamidophenyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)NCc2cn3cccc(C)c3n2)cc1
InChIInChI=1S/C20H20N4O2/c1-14-4-3-11-24-13-18(23-20(14)24)12-21-19(26)10-7-16-5-8-17(9-6-16)22-15(2)25/h3-11,13H,12H2,1-2H3,(H,21,26)(H,22,25)/b10-7+
InChIKeySZBSLXVOECYHHJ-JXMROGBWSA-N
MW348.41 g/mol
LogP2.93
Rot. Bonds5

About (E)-3-(4-acetamidophenyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide

(E)-3-(4-acetamidophenyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide (PubChem CID 75534685) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide
PubChem CID75534685
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(E)-3-(4-acetamidophenyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)NCc2cn3cccc(C)c3n2)cc1
InChIInChI=1S/C20H20N4O2/c1-14-4-3-11-24-13-18(23-20(14)24)12-21-19(26)10-7-16-5-8-17(9-6-16)22-15(2)25/h3-11,13H,12H2,1-2H3,(H,21,26)(H,22,25)/b10-7+
InChIKeySZBSLXVOECYHHJ-JXMROGBWSA-N
XLogP2.93
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]phenyl]acetamide
CID 71974649
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide
CID 72689909
4-(methylamino)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide
CID 119882755
(E)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide
CID 121055726
(E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide
CID 51333626
3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid
CID 39175642
(E)-3-(4-acetamidophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide
CID 31266525
N-(3-acetylphenyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 47092008
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide
CID 121149196
(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
CID 47142125
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide
CID 118779889
(E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 51339871

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide (CID 75534685) is (E)-3-(4-acetamidophenyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide is CC(=O)Nc1ccc(/C=C/C(=O)NCc2cn3cccc(C)c3n2)cc1.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide?
The InChIKey is SZBSLXVOECYHHJ-JXMROGBWSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-4-3-11-24-13-18(23-20(14)24)12-21-19(26)10-7-16-5-8-17(9-6-16)22-15(2)25/h3-11,13H,12H2,1-2H3,(H,21,26)(H,22,25)/b10-7+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide has a molecular weight of 348.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 75534685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).